N'-hept-5-en-2-yl-N,N-dimethylethanimidamide

C11H22N2 — CID 123251005

IUPACN'-hept-5-en-2-yl-N,N-dimethylethanimidamide
SMILESCC=CCCC(C)/N=C(\C)N(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-9-10(2)12-11(3)13(4)5/h6-7,10H,8-9H2,1-5H3/b7-6?,12-11+
InChIKeyHLYTXYRKDHCVGK-MBYXZZKVSA-N
MW182.31 g/mol
LogP2.71
Rot. Bonds4

About N'-hept-5-en-2-yl-N,N-dimethylethanimidamide

N'-hept-5-en-2-yl-N,N-dimethylethanimidamide (PubChem CID 123251005) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-hept-5-en-2-yl-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-hept-5-en-2-yl-N,N-dimethylethanimidamide
PubChem CID123251005
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-hept-5-en-2-yl-N,N-dimethylethanimidamide
SMILESCC=CCCC(C)/N=C(\C)N(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-9-10(2)12-11(3)13(4)5/h6-7,10H,8-9H2,1-5H3/b7-6?,12-11+
InChIKeyHLYTXYRKDHCVGK-MBYXZZKVSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,N,2-trimethyl-2,3-dihydropyridin-6-amine
CID 67991613
(2S)-N,N,2,4-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991657
N,N,2-trimethyl-2,3-dihydropyridin-6-amine
CID 67991659
N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide
CID 130180486
N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
CID 146550503
N'-cyclohexyl-N,N-dimethylpent-2-enimidamide
CID 150517578
N,N-diethyl-2-methyl-2,3-dihydropyridin-6-amine
CID 156227076
N-cyclohex-2-en-1-yl-N,N'-dimethylethanimidamide
CID 163717043
Methanimidamide, N-2-cyclopenten-1-yl-N,N-dimethyl-, (Z)-(9CI)
CID 14967686

Frequently Asked Questions

What is the IUPAC name of N'-hept-5-en-2-yl-N,N-dimethylethanimidamide?
The IUPAC name of N'-hept-5-en-2-yl-N,N-dimethylethanimidamide (CID 123251005) is N'-hept-5-en-2-yl-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-hept-5-en-2-yl-N,N-dimethylethanimidamide?
The canonical SMILES for N'-hept-5-en-2-yl-N,N-dimethylethanimidamide is CC=CCCC(C)/N=C(\C)N(C)C.
What is the InChIKey of N'-hept-5-en-2-yl-N,N-dimethylethanimidamide?
The InChIKey is HLYTXYRKDHCVGK-MBYXZZKVSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-8-9-10(2)12-11(3)13(4)5/h6-7,10H,8-9H2,1-5H3/b7-6?,12-11+.
What are the key properties of N'-hept-5-en-2-yl-N,N-dimethylethanimidamide?
N'-hept-5-en-2-yl-N,N-dimethylethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hept-5-en-2-yl-N,N-dimethylethanimidamide is sourced from PubChem (CID 123251005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).